3-[[6-(4-methoxyphenyl)-5-oxidanidyl-1,2,4-triazin-3-yl]sulfanylmethyl]benzoate

Systemtic Name: 3-[[6-(4-methoxyphenyl)-5-oxidanidyl-1,2,4-triazin-3-yl]sulfanylmethyl]benzoate Openeye Name: 3-[[6-(4-methoxyphenyl)-5-oxido-1,2,4-triazin-3-yl]sulfanylmethyl]benzoate CAS Name: 3-[[[6-(4-methoxyphenyl)-5-oxido-1,2,4-triazin-3-yl]thio]methyl]benzoate IUPAC Name: 3-[[6-(4-methoxyphenyl)-5-oxido-1,2,4-triazin-3-yl]sulfanylmethyl]benzoate Traditional Name: 3-[[[6-(4-methoxyphenyl)-5-oxido-1,2,4-triazin-3-yl]thio]methyl]benzoate Formula: C18H13N3O4S-2 MolecularWeight: 367.37852

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(N=C(N=N2)SCC3=CC=CC(=C3)C(=O)[O-])[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(N=C(N=N2)SCC3=CC=CC(=C3)C(=O)[O-])[O-]

InChI

InChI=1S/C18H15N3O4S/c1-25-14-7-5-12(6-8-14)15-16(22)19-18(21-20-15)26-10-11-3-2-4-13(9-11)17(23)24/h2-9H,10H2,1H3,(H,23,24)(H,19,21,22)/p-2